7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride

C13H29ClN2O — CID 119796493

IUPAC7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
SMILESCC(C)C(C)CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-11(2)12(3)10-15-13(16)8-6-4-5-7-9-14;/h11-12H,4-10,14H2,1-3H3,(H,15,16);1H
InChIKeyAAZJQHRMYHBTKP-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.73
Rot. Bonds9

About 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride

7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride (PubChem CID 119796493) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
PubChem CID119796493
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC Name7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
SMILESCC(C)C(C)CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-11(2)12(3)10-15-13(16)8-6-4-5-7-9-14;/h11-12H,4-10,14H2,1-3H3,(H,15,16);1H
InChIKeyAAZJQHRMYHBTKP-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride
CID 119902835

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride (CID 119796493) is 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride is CC(C)C(C)CNC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride?
The InChIKey is AAZJQHRMYHBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-11(2)12(3)10-15-13(16)8-6-4-5-7-9-14;/h11-12H,4-10,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride?
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride is sourced from PubChem (CID 119796493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).